1-iodooctadec-9-ene

C18H35I — CID 54335448

IUPAC1-iodooctadec-9-ene
SMILESCCCCCCCCC=CCCCCCCCCI
InChIInChI=1S/C18H35I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-18H2,1H3
InChIKeyTVDRYRJRVCTYOL-UHFFFAOYSA-N
MW378.38 g/mol
LogP7.46
Rot. Bonds15

About 1-iodooctadec-9-ene

1-iodooctadec-9-ene (PubChem CID 54335448) has the molecular formula C18H35I and a molecular weight of 378.38 g/mol. Its IUPAC name is 1-iodooctadec-9-ene.

Molecular Properties

Compound Name1-iodooctadec-9-ene
PubChem CID54335448
Molecular FormulaC18H35I
Molecular Weight378.38 g/mol
Exact Mass378.18
IUPAC Name1-iodooctadec-9-ene
SMILESCCCCCCCCC=CCCCCCCCCI
InChIInChI=1S/C18H35I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-18H2,1H3
InChIKeyTVDRYRJRVCTYOL-UHFFFAOYSA-N
XLogP7.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.38
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-1-iodoheptadec-8-ene
CID 118861241
18-iodooctadeca-6,9-diene
CID 54451321
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
nonacos-6-ene
CID 25200821
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-heptacos-11-ene
CID 56936074
tetratriacont-8-ene
CID 123670593

Frequently Asked Questions

What is the IUPAC name of 1-iodooctadec-9-ene?
The IUPAC name of 1-iodooctadec-9-ene (CID 54335448) is 1-iodooctadec-9-ene.
What is the SMILES notation for 1-iodooctadec-9-ene?
The canonical SMILES for 1-iodooctadec-9-ene is CCCCCCCCC=CCCCCCCCCI.
What is the InChIKey of 1-iodooctadec-9-ene?
The InChIKey is TVDRYRJRVCTYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-18H2,1H3.
What are the key properties of 1-iodooctadec-9-ene?
1-iodooctadec-9-ene has a molecular weight of 378.38 g/mol, XLogP of 7.46, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodooctadec-9-ene is sourced from PubChem (CID 54335448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).